1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea

C14H12BrFN2O — CID 115663057

IUPAC1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-2-4-10(5-3-9)17-14(19)18-11-6-7-13(16)12(15)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyVADICJBTWCOLNL-UHFFFAOYSA-N
MW323.17 g/mol
LogP4.54
Rot. Bonds2

About 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea

1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea (PubChem CID 115663057) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
PubChem CID115663057
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-2-4-10(5-3-9)17-14(19)18-11-6-7-13(16)12(15)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyVADICJBTWCOLNL-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
2-bromo-5-[(4-methylphenyl)carbamoylamino]benzoic acid
CID 115295945
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea (CID 115663057) is 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea?
The InChIKey is VADICJBTWCOLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9-2-4-10(5-3-9)17-14(19)18-11-6-7-13(16)12(15)8-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea?
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea has a molecular weight of 323.17 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 115663057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).